Geometry & MOs

Info

ID:	249038
PubChem CID:	103086401
Reduced:	BrFN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	301.136117
ΔH_f, kcal/mol:	41.57
Dipole, Da:	4.53
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1-benzothiophen-5-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations